N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide

C30H29F4N3O5 — CID 122502765

About N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide

N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide (PubChem CID 122502765) has the molecular formula C30H29F4N3O5 and a molecular weight of 587.57 g/mol. Its IUPAC name is N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide.

Molecular Properties

• Compound Name: N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide
• PubChem CID: 122502765
• Molecular Formula: C30H29F4N3O5
• Molecular Weight: 587.57 g/mol
• Exact Mass: 587.20
• IUPAC Name: N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide
• SMILES: CC1(N)COc2c1cc(C(O)(CNC(=O)c1ccc(OC3CC3)c(OC3CC3)c1)C(F)(F)F)nc2-c1ccc(F)cc1
• InChI: InChI=1S/C30H29F4N3O5/c1-28(35)15-40-26-21(28)13-24(37-25(26)16-2-5-18(31)6-3-16)29(39,30(32,33)34)14-36-27(38)17-4-11-22(41-19-7-8-19)23(12-17)42-20-9-10-20/h2-6,11-13,19-20,39H,7-10,14-15,35H2,1H3,(H,36,38)
• InChIKey: DTXNKRIPYHTEAW-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 115.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	587.57
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide?

The IUPAC name of N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide (CID 122502765) is N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide.

What is the SMILES notation for N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide?

The canonical SMILES for N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide is CC1(N)COc2c1cc(C(O)(CNC(=O)c1ccc(OC3CC3)c(OC3CC3)c1)C(F)(F)F)nc2-c1ccc(F)cc1.

What is the InChIKey of N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide?

The InChIKey is DTXNKRIPYHTEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F4N3O5/c1-28(35)15-40-26-21(28)13-24(37-25(26)16-2-5-18(31)6-3-16)29(39,30(32,33)34)14-36-27(38)17-4-11-22(41-19-7-8-19)23(12-17)42-20-9-10-20/h2-6,11-13,19-20,39H,7-10,14-15,35H2,1H3,(H,36,38).

What are the key properties of N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide?

N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide has a molecular weight of 587.57 g/mol, XLogP of 4.72, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide is sourced from PubChem (CID 122502765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).